| 101 |
|
Stats::title_[BOX_DIPOLE_Y] = "box dipole y"; |
| 102 |
|
Stats::title_[BOX_DIPOLE_Z] = "box dipole z"; |
| 103 |
|
Stats::title_[TAGGED_PAIR_DISTANCE] = "Tagged_Pair_Distance"; |
| 104 |
+ |
Stats::title_[RNEMD_EXCHANGE_TOTAL] = "RNEMD_exchange_total"; |
| 105 |
|
|
| 106 |
|
Stats::units_[TIME] = "fs"; |
| 107 |
|
Stats::units_[TOTAL_ENERGY] = "kcal/mol"; |
| 138 |
|
Stats::units_[BOX_DIPOLE_Y] = "C*m"; |
| 139 |
|
Stats::units_[BOX_DIPOLE_Z] = "C*m"; |
| 140 |
|
Stats::units_[TAGGED_PAIR_DISTANCE] = "Ang"; |
| 141 |
+ |
Stats::units_[RNEMD_EXCHANGE_TOTAL] = "Variable"; |
| 142 |
|
|
| 143 |
|
Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME)); |
| 144 |
|
Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY)); |
| 147 |
|
Stats::statsMap.insert(StatsMapType::value_type("TEMPERATURE", TEMPERATURE)); |
| 148 |
|
Stats::statsMap.insert(StatsMapType::value_type("PRESSURE", PRESSURE)); |
| 149 |
|
Stats::statsMap.insert(StatsMapType::value_type("VOLUME", VOLUME)); |
| 150 |
+ |
Stats::statsMap.insert(StatsMapType::value_type("HULLVOLUME", HULLVOLUME)); |
| 151 |
+ |
Stats::statsMap.insert(StatsMapType::value_type("GYRVOLUME", GYRVOLUME)); |
| 152 |
|
Stats::statsMap.insert(StatsMapType::value_type("CONSERVED_QUANTITY", CONSERVED_QUANTITY)); |
| 153 |
|
Stats::statsMap.insert(StatsMapType::value_type("TRANSLATIONAL_KINETIC", TRANSLATIONAL_KINETIC)); |
| 154 |
|
Stats::statsMap.insert(StatsMapType::value_type("ROTATIONAL_KINETIC", ROTATIONAL_KINETIC)); |
| 175 |
|
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Y", BOX_DIPOLE_Y)); |
| 176 |
|
Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z)); |
| 177 |
|
Stats::statsMap.insert(StatsMapType::value_type("TAGGED_PAIR_DISTANCE", TAGGED_PAIR_DISTANCE)); |
| 178 |
+ |
Stats::statsMap.insert(StatsMapType::value_type("RNEMD_EXCHANGE_TOTAL", RNEMD_EXCHANGE_TOTAL)); |
| 179 |
|
} |
| 180 |
|
|
| 181 |
|
} |